REMARK  Name = BDB028279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.412  -0.924   0.269  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.217  -0.115   0.623  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.432   1.041   1.365  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.357   1.851   1.744  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.058   1.500   1.367  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.188   0.345   0.606  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.806   1.413   1.738  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.038   2.421   2.397  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.799   0.571   1.302  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.754   0.813   1.547  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.912  -0.456   0.239  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.624  -0.575   0.591  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.554  -0.014   0.200  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        2.395   0.898  -0.455  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        3.691   0.539  -0.837  0.00  0.00    +0.149 A 
ATOM     16  C   LIG    1        4.108  -0.752  -0.541  0.00  0.00    +0.156 A 
ATOM     17  N   LIG    1        3.337  -1.668   0.089  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        2.089  -1.278   0.442  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  O   LIG    1        4.400   1.519  -1.467  0.00  0.00    -0.404 OA
BRANCH  19  20
ATOM     20  C   LIG    1        5.719   1.200  -1.878  0.00  0.00    +0.575 C 
ATOM     21  F   LIG    1        6.261   2.280  -2.479  0.00  0.00    -0.133 F 
ATOM     22  F   LIG    1        5.714   0.179  -2.761  0.00  0.00    -0.133 F 
ATOM     23  F   LIG    1        6.487   0.873  -0.818  0.00  0.00    -0.133 F 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  24
ATOM     24  C   LIG    1       -3.247  -2.225  -0.510  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.017  -1.915  -1.922  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1       -3.823  -1.388  -2.268  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -3.017  -2.784  -2.455  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 5